tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate

C12H19N3O2 — CID 169468518

IUPACtert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate
SMILESCn1nccc1C=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)13-8-5-6-10-7-9-14-15(10)4/h5-7,9H,8H2,1-4H3,(H,13,16)
InChIKeyYTOVHSGBMMFCNX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.96
Rot. Bonds3

About tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate

tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate (PubChem CID 169468518) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate
PubChem CID169468518
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate
SMILESCn1nccc1C=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)13-8-5-6-10-7-9-14-15(10)4/h5-7,9H,8H2,1-4H3,(H,13,16)
InChIKeyYTOVHSGBMMFCNX-UHFFFAOYSA-N
XLogP1.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)prop-2-enyl]carbamate
CID 169466995
tert-butyl N-[3-(4,5-dibromothiophen-2-yl)prop-2-enyl]carbamate
CID 169468821
tert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate
CID 169467138
tert-butyl N-(3-trimethylsilylprop-2-enyl)carbamate
CID 85157761
tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate
CID 169466870
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
CID 169468523
(E)-3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]prop-2-enoic acid
CID 169468034
tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467097
tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate
CID 169466944
tert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate
CID 169466990
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzenesulfonic acid
CID 169468610

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate (CID 169468518) is tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate is Cn1nccc1C=CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate?
The InChIKey is YTOVHSGBMMFCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)13-8-5-6-10-7-9-14-15(10)4/h5-7,9H,8H2,1-4H3,(H,13,16).
What are the key properties of tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169468518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).